N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide

C15H13ClN2O2S — CID 107808544

IUPACN-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2S/c1-20-11-5-2-9(3-6-11)15(19)18-13-7-4-10(14(17)21)8-12(13)16/h2-8H,1H3,(H2,17,21)(H,18,19)
InChIKeyZBTPDUCHBMAUEJ-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.24
Rot. Bonds4

About N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide

N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide (PubChem CID 107808544) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
PubChem CID107808544
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC NameN-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2S/c1-20-11-5-2-9(3-6-11)15(19)18-13-7-4-10(14(17)21)8-12(13)16/h2-8H,1H3,(H2,17,21)(H,18,19)
InChIKeyZBTPDUCHBMAUEJ-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 107808410
methyl 2-(4-carbamothioyl-2-chloroanilino)acetate
CID 63087948
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
CID 107808571
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440
3-bromo-N-(4-carbamothioyl-2-chlorophenyl)-5-fluorobenzamide
CID 107808488

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide?
The IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide (CID 107808544) is N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cc1.
What is the InChIKey of N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide?
The InChIKey is ZBTPDUCHBMAUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-20-11-5-2-9(3-6-11)15(19)18-13-7-4-10(14(17)21)8-12(13)16/h2-8H,1H3,(H2,17,21)(H,18,19).
What are the key properties of N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide?
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide has a molecular weight of 320.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 107808544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).